Ketcher 06081510172D 1 1.00000 0.00000 0 52 51 0 1 0 999 V2000 12.0098 -3.9569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6021 -2.4407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4606 -2.9557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3192 -2.4407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1778 -2.9557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0359 -2.4407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8942 -2.9557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7528 -2.4407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6021 -1.4676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7436 -2.9557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1428 -2.4552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2758 -2.9557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0098 -2.9557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8768 -2.4552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4086 -2.4552 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 9.4086 -1.4542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5417 -2.9557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6283 -2.9267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6450 -3.9275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3357 -4.4743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1940 -3.9591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0527 -4.4742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9110 -3.9591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7960 -4.4581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3620 -2.9267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3620 -3.9278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4951 -2.4261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4951 -4.4283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6746 -2.4552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8078 -2.9557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9407 -2.4552 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0737 -2.9557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8930 -4.4283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8930 -5.4294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7764 -5.9006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7764 -6.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6594 -7.3728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6594 -8.3739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5425 -8.8453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7274 -3.9278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5762 -9.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7265 -10.3752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0409 -6.9609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9243 -7.4319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9243 -8.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8075 -8.9045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8348 -9.9200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4682 -11.3327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6096 -11.8477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4514 -10.3318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7344 -11.3617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4086 -3.4553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 2 1 0 0 0 10 2 1 0 0 0 9 2 2 0 0 0 12 11 1 0 0 0 13 11 1 0 0 0 13 1 1 1 0 0 13 14 1 0 0 0 10 14 1 0 0 0 12 15 1 0 0 0 15 16 2 0 0 0 15 17 1 0 0 0 4 3 1 0 0 0 4 5 1 0 0 0 6 5 1 0 0 0 6 7 1 0 0 0 8 7 1 0 0 0 8 18 1 0 0 0 20 21 1 0 0 0 21 22 1 0 0 0 22 23 1 0 0 0 23 24 1 0 0 0 24 19 1 0 0 0 26 25 1 0 0 0 27 25 2 0 0 0 28 26 1 0 0 0 18 27 1 0 0 0 19 28 1 0 0 0 17 29 1 0 0 0 29 30 1 0 0 0 30 31 1 0 0 0 31 32 1 0 0 0 34 33 1 0 0 0 1 33 1 0 0 0 40 33 2 0 0 0 35 34 1 0 0 0 35 36 1 0 0 0 37 36 1 0 0 0 37 38 1 0 0 0 39 38 1 0 0 0 39 41 1 0 0 0 43 44 1 0 0 0 44 45 1 0 0 0 45 46 1 0 0 0 46 47 1 0 0 0 47 42 1 0 0 0 49 48 1 0 0 0 50 48 2 0 0 0 51 49 1 0 0 0 41 50 1 0 0 0 42 51 1 0 0 0 15 52 1 0 0 0 M END > CHEBI:85962 > 1,2-dioleoyl-sn-glycero-3-phospho-N-methylethanolamine > A 1,2-diacyl-sn-glycero-3-phospho-N-methylethanolamine in which the phosphatidyl acyl groups are both specified as oleoyl (9Z-octadecenoyl); major species at pH 7.3. > 3 > PE-NMe(18:1/18:1); PE-NMe(18:1(9Z)/18:1(9Z)); N-Methyl-1,2-dioleoylphosphatidylethanolamine; MMPE(18:1(9Z)/18:1(9Z)); 1,2-Dioleoyl-sn-glycero-3-phosphoethanolamine-N-monomethyl; 1,2-di-(9Z-octadecenoyl)-sn-glycero-3-phospho-N-methylethanolamine > (9R,20Z)-6-hydroxy-6,12-dioxo-5,7,11-trioxa-2-aza-6lambda(5)-phosphanonacos-20-en-9-yl (9Z)-octadec-9-enoate > C42H80NO8P > 758.06030 > 757.56216 > 0 > CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCNC)OC(=O)CCCCCCC\C=C/CCCCCCCC > InChI=1S/C42H80NO8P/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43-3)51-42(45)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h18-21,40,43H,4-17,22-39H2,1-3H3,(H,46,47)/b20-18-,21-19-/t40-/m1/s1 > LPXFOQGBESUDAX-NLEYBKGJSA-N > 96687-23-9 > 96687-23-9 > LMGP02010338 > 12431977; 15927961 $$$$